NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7031 8.2714 118.2116 52.4412 38.8253 174.7970 12 G 3.5560 8.3270 104.4326 46.1376 0.0000 170.7982 13 V 3.6821 8.1043 120.8135 65.9354 32.0158 175.5690 14 H 4.1611 8.8023 118.2939 59.4568 29.6767 176.7512 15 D 4.2595 7.8000 119.6023 57.3741 40.7275 178.2986 16 F 3.9742 8.2722 120.9845 61.7200 39.3220 177.6358 17 I 3.7933 8.0393 118.8569 64.3943 36.9924 178.3678 18 L 3.9580 7.9800 119.9037 57.9248 41.3352 179.7761 19 V 3.5380 8.1645 118.4004 65.7695 31.3077 177.9955 20 R 4.0325 7.3765 116.5870 58.1146 30.2890 178.4526 21 A 4.0007 8.3786 121.3179 55.5708 18.4425 179.8391 22 T 3.8709 8.1554 107.9990 64.9581 68.7900 176.4463 23 A 4.1205 7.8633 123.5860 54.7627 18.3170 179.8212 24 I 3.6796 7.7831 118.5056 64.5081 37.2424 178.3841 25 V 3.6814 7.7216 119.0675 66.4396 31.3424 177.9711 26 L 4.1096 8.4605 118.7307 58.2930 41.4304 179.7813 27 T 3.9784 8.1858 115.6224 66.4285 68.3270 176.7930 28 L 4.0904 8.0715 121.0239 58.1402 41.7419 178.7208 29 Y 3.2371 8.2651 119.4404 60.6664 38.5311 178.4710 30 I 3.6788 8.0406 120.6656 64.2949 37.1576 178.3430 31 I 3.8198 7.8377 120.7771 64.4032 36.8987 177.9245 32 Y 4.1653 8.0646 120.2925 61.2027 38.7731 177.9283 33 M 3.9011 7.9236 119.6798 58.1089 31.9120 179.0955 34 V 3.7374 8.4426 119.1070 65.8913 31.5327 177.8713 35 G 3.8791 7.9750 104.4953 48.5330 0.0000 174.5838 36 F 3.7350 8.0180 123.2569 60.8798 38.9529 176.9654 37 F 3.8189 8.1890 117.6974 60.2545 38.9609 176.8191 38 A 4.5204 7.7544 117.7867 51.8151 20.1290 177.7279 39 T 4.6116 7.6347 107.7882 59.7948 68.9389 173.7938 40 S 4.4216 7.6830 112.0461 57.9226 69.3221 177.5346 41 G 3.4583 7.6395 110.2291 47.1624 0.0000 174.4332 42 E 3.7163 8.2073 125.4222 56.1980 28.6486 178.0061 43 L 4.4539 8.0830 128.9048 53.2583 40.6777 176.7496 44 T 4.1897 7.4827 111.8285 61.2131 70.2657 175.8341 45 Y 4.3001 8.6664 122.7483 60.6117 38.6600 178.0697 46 E 3.8288 8.1919 120.0361 59.2867 30.0496 178.8952 47 V 3.7427 7.7181 112.1457 63.8699 31.6471 178.3835 48 W 4.3622 8.2315 127.9515 60.7633 30.7192 178.0066 49 I 3.6864 7.9173 118.5755 63.6707 37.0583 178.1761 50 G 3.5646 7.9804 106.3076 47.5033 0.0000 175.1178 51 F 4.2266 8.0040 123.1660 61.1423 39.1934 176.9590 52 F 3.8121 7.4392 113.5133 58.7078 38.7622 176.8636 53 A 4.1530 7.4117 120.0658 53.1182 18.9521 178.0488 54 S 3.9893 7.2599 112.7302 58.4533 63.2425 174.7068 55 A 3.9362 8.8955 129.3273 55.3629 17.9816 179.4171 56 F 3.8212 7.8639 117.7630 61.8960 39.4981 177.5904 57 T 3.8470 7.8322 114.7211 66.2973 68.1805 176.6311 58 K 3.8374 8.0760 120.5806 59.4634 32.0741 179.2231 59 V 3.4145 7.5928 118.1286 66.1068 31.3516 177.5171 60 F 4.0674 7.8793 120.1310 61.8991 39.1071 177.3553 61 T 3.5014 8.1246 115.0517 66.5118 68.2768 176.7971 62 L 3.7994 7.8841 120.9402 57.4601 41.4814 179.1351 63 L 4.0211 8.2830 120.5523 58.2888 41.9016 178.9725 64 A 3.8485 7.9083 120.7001 55.0542 18.1374 179.6244 65 L 3.9025 7.7643 117.4871 57.8365 41.6573 179.7297 66 F 4.0766 8.2848 117.7354 60.7625 38.9060 177.8605 67 S 4.2604 8.5401 115.0471 61.8190 62.5276 176.9418 68 I 3.9819 8.2278 122.8260 63.8989 36.8490 178.1250 69 L 4.0226 8.0489 121.4297 58.3487 41.9718 179.2463 70 I 3.8683 7.9238 119.4719 64.7639 37.1413 178.0303 71 H 4.1499 8.8537 119.2616 59.3038 29.6819 177.0959 72 A 4.2072 8.5901 122.6134 54.2326 18.3119 179.5114 73 W 4.4696 8.1849 126.9434 60.8301 30.8771 178.1340 74 I 3.3630 7.8112 119.8690 64.3109 36.6757 178.7269 75 G 3.5613 8.1230 106.4167 48.1329 0.0000 175.7393 76 M 4.1464 8.3434 121.3984 57.5783 31.8921 178.5908 77 W 3.7346 7.7497 128.7055 60.2886 30.4749 178.0277 78 Q 3.6371 7.7677 116.8350 58.7797 28.4907 178.6685 79 V 3.4448 7.4284 118.7077 65.9464 31.6133 177.7979 80 L 3.9473 7.9458 119.1980 58.0547 41.3548 179.2236 81 T 3.8294 7.1462 105.9573 62.8524 68.6962 175.3816 82 D 4.2961 7.3653 121.8575 56.0939 41.5281 176.6745 83 Y 4.7456 7.4554 113.2103 57.6248 39.6220 175.8470 84 V 4.2428 8.0261 119.9142 60.8922 31.4977 175.2680 85 K 4.0759 8.5264 125.5701 58.4526 32.7952 177.2166 86 P 4.2573 0.0000 0.0000 62.5225 32.2116 176.6438 87 L 3.9392 8.6620 124.2879 58.2306 42.1623 178.8431 88 A 3.9812 7.9457 120.0287 55.2678 18.4760 179.2401 89 L 3.9524 7.8972 118.2995 58.0431 42.0580 179.1061 90 R 3.8810 7.9347 118.4418 59.4246 30.0426 178.3596 91 L 4.0733 8.1155 118.8847 58.1237 41.5229 179.4540 92 M 4.0735 8.0540 118.4669 58.5686 31.9547 178.8984 93 L 4.0474 7.9708 118.8930 57.7317 41.7052 179.6994 94 Q 4.2988 8.5719 118.5913 58.7718 28.7210 178.0894 95 L 3.8240 8.2321 121.7587 58.2787 42.0538 178.9903 96 V 3.5501 7.9405 117.9096 66.3279 31.4930 177.8618 97 I 3.7099 7.9047 119.2541 64.4510 36.9310 178.6977 98 V 3.3264 8.1557 119.2703 65.8799 31.3568 178.1349 99 V 3.4407 7.7379 117.7683 65.8624 31.2861 177.7043 100 A 3.7317 8.1805 120.7244 55.2461 18.3427 179.6212 101 L 3.5599 7.5725 117.3043 57.6462 41.5874 180.1226 102 V 3.4908 7.8156 118.3163 65.7870 31.4373 177.8994 103 V 3.6089 8.1373 118.4434 66.5732 31.1858 177.1032 104 Y 4.6059 8.2987 116.4682 61.6809 37.7942 179.1615 105 V 3.5502 7.7859 118.0195 66.0835 31.6934 178.2416 106 I 3.8141 8.0021 119.4033 64.7288 37.0372 177.6720 107 Y 4.3645 8.9842 121.0561 60.7377 38.5885 178.5096 108 G 3.5031 8.6281 107.0024 47.9002 0.0000 175.6409 109 F 3.9772 8.3896 120.4705 60.0951 38.6461 177.8531 110 V 3.7435 7.3863 116.5562 65.5054 31.5029 177.9515 111 V 3.5163 7.3880 117.3333 65.6218 31.4486 177.9123 112 V 3.9213 7.6771 113.9679 64.1650 31.7381 178.9655 *113 W 4.3306 7.7997 120.7559 60.3135 28.0202 178.8723 114 G 4.3037 7.4270 103.2593 45.3283 0.0000 173.9640 115 V 3.9823 7.6887 125.9771 62.5577 31.7929 175.2186 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 11 N 8.27 4.70 0.00 2.96 3.02 0.00 0.00 6.02 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.33 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.10 3.68 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.89 0.00 0.00 14 H 8.80 4.16 0.00 3.36 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.80 4.26 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.27 3.97 0.00 3.28 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.04 3.79 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.68 0.94 0.00 0.00 18 L 7.98 3.96 0.00 1.62 1.69 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.16 3.54 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.75 0.00 0.00 20 R 7.38 4.03 0.00 1.97 1.84 0.00 2.32 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 21 A 8.38 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.16 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 23 A 7.86 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.78 3.68 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.95 0.00 0.00 25 V 7.72 3.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.96 0.00 0.00 26 L 8.46 4.11 0.00 1.76 1.76 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.19 3.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 28 L 8.07 4.09 0.00 2.21 2.08 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.27 3.24 0.00 2.73 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.04 3.68 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.93 0.00 0.00 31 I 7.84 3.82 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.00 0.00 0.00 32 Y 8.06 4.17 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.92 3.90 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 34 V 8.44 3.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 35 G 7.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.02 3.73 0.00 2.24 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.19 3.82 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.75 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.63 4.61 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 S 7.68 4.42 0.00 3.60 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.64 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.21 3.72 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 43 L 8.08 4.45 0.00 1.60 1.59 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.48 4.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 45 Y 8.67 4.30 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.19 3.83 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 47 V 7.72 3.74 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.14 0.00 0.00 48 W 8.23 4.36 0.00 3.53 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.92 3.69 1.36 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.75 0.00 0.00 50 G 7.98 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.00 4.23 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.44 3.81 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.41 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.26 3.99 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.90 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.86 3.82 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.83 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 58 K 8.08 3.84 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.53 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 V 7.59 3.41 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.87 0.00 0.00 60 F 7.88 4.07 0.00 2.68 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.12 3.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 62 L 7.88 3.80 0.00 1.61 1.51 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.28 4.02 0.00 1.78 1.95 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.91 3.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.76 3.90 0.00 1.71 1.63 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.28 4.08 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.54 4.26 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.23 3.98 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 1.07 0.00 0.00 69 L 8.05 4.02 0.00 1.77 2.02 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.92 3.87 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.98 0.00 0.00 71 H 8.85 4.15 0.00 3.27 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.59 4.21 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.18 4.47 0.00 3.50 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.81 3.36 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.83 0.00 0.00 75 G 8.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.34 4.15 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.88 0.00 77 W 7.75 3.73 0.00 2.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.77 3.64 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 79 V 7.43 3.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.95 0.00 0.00 80 L 7.95 3.95 0.00 1.49 1.61 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.15 3.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 82 D 7.37 4.30 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.46 4.75 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.03 4.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.53 4.08 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.40 7.81 86 P 0.00 4.26 0.00 2.16 2.00 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 87 L 8.66 3.94 0.00 1.77 1.68 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.95 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.90 3.95 0.00 1.78 1.69 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.93 3.88 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 91 L 8.12 4.07 0.00 1.77 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.05 4.07 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 93 L 7.97 4.05 0.00 1.92 1.78 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.57 4.30 0.00 2.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 3.18 2.65 0.00 95 L 8.23 3.82 0.00 1.82 1.89 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.94 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 97 I 7.90 3.71 2.27 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 1.15 0.00 0.00 98 V 8.16 3.33 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.20 0.00 0.00 99 V 7.74 3.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 100 A 8.18 3.73 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.57 3.56 0.00 1.79 1.69 1.18 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.82 3.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 103 V 8.14 3.61 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 104 Y 8.30 4.61 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.79 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.80 0.00 0.00 106 I 8.00 3.81 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.94 0.00 0.00 107 Y 8.98 4.36 0.00 3.10 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.63 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.39 3.98 0.00 3.35 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.39 3.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 111 V 7.39 3.52 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.25 0.00 0.00 112 V 7.68 3.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 *113 W 7.80 4.33 0.00 2.63 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.69 3.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.